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195 records · Page 11

Systematic characterization of unknown compounds via dimensionality reduction of time series

Analysis of ambient aerosols provides valuable insight into particle sources and formation chemistry. However, due to the complexity of atmospheric data and the dynamic nature of aerosol composition, a substantial fraction of data often become discarded by conventional analysis methods. Furthermore, a large fraction of chemical species within those data are unidentifiable due to a lack of matching spectral information, resulting in suboptimal characterization of chemical composition. Previous work has demonstrated techniques for cataloging analytes in a chromatographic dataset by deconvolution of mass spectra, but integration of these analytes throughout a large dataset remains time consuming. Here, we present a method to automatically identify an ion for quantitation for single-ion chromatogram based peak fitting and integration, enabling comprehensive integration of analytes with minimal user interaction. The resulting time series are clustered with a machine-learning based dimensionality reduction technique to systematically investigate the underlying characteristics of the categorized analytes and gain new insights into the chemical composition and physicochemical properties of the unidentifiable analytes. We apply these methods to existing atmospheric datasets collected in Manacapuru, Brazil during the GoAmazon2014/5 campaign to identify new analytes and interpret their variability and transformations in the atmosphere. The analysis results generate 408 time series from cataloged analytes of interest, and the clustering of those time series with spherical k-means results in 8 distinct clusters. We find the analytes form clusters based on their distinct physicochemical properties, demonstrating the method’s ability to systematically identify and selectively filter contaminants and instrumental analytes and characterize the unidentifiable analytes.

54 ENVIRONMENTAL SCIENCES↗

Design data collection with Skylab microwave radiometer-scatterometer S-193, volume 2

The author has identified the following significant results. Skylab S-193 radiometer/scatterometer produced terrain responses with various polarizations and observation angles for cells of 100 to 400 sq km area. Classification of the observations into natural categories was achieved by K-means and spatial clustering algorithms. Microwave data acquired over the Great Salt Lake Desert area by sensors aboard Skylab and Nimbus 5 indicate that the microwave emission and backscatter were strongly influenced by contributions from subsurface layers of sediment saturated with brine. Correlations were noted between microwave backscatter response at approximately 33 deg from scatterometer (operating at 13.9 GHz) and the configuration of ground targets in Brazil as discerned from coarse scale maps. With limited, available ground truth, these correlations were sufficient to permit the production of image-like displays which bear a marked resemblance to known terrain features in several instances.

Moore, R. K.↗

Applications of wavelet-based compression to multidimensional Earth science data

A data compression algorithm involving vector quantization (VQ) and the discrete wavelet transform (DWT) is applied to two different types of multidimensional digital earth-science data. The algorithms (WVQ) is optimized for each particular application through an optimization procedure that assigns VQ parameters to the wavelet transform subbands subject to constraints on compression ratio and encoding complexity. Preliminary results of compressing global ocean model data generated on a Thinking Machines CM-200 supercomputer are presented. The WVQ scheme is used in both a predictive and nonpredictive mode. Parameters generated by the optimization algorithm are reported, as are signal-to-noise (SNR) measurements of actual quantized data. The problem of extrapolating hydrodynamic variables across the continental landmasses in order to compute the DWT on a rectangular grid is discussed. Results are also presented for compressing Landsat TM 7-band data using the WVQ scheme. The formulation of the optimization problem is presented along with SNR measurements of actual quantized data. Postprocessing applications are considered in which the seven spectral bands are clustered into 256 clusters using a k-means algorithm and analyzed using the Los Alamos multispectral data analysis program, SPECTRUM, both before and after being compressed using the WVQ program.

Bradley, Jonathan N.↗

Multivariate Methods for Prediction of Geologic Sample Composition with Laser-Induced Breakdown Spectroscopy

Laser-induced breakdown spectroscopy (LIBS) uses pulses of laser light to ablate a material from the surface of a sample and produce an expanding plasma. The optical emission from the plasma produces a spectrum which can be used to classify target materials and estimate their composition. The ChemCam instrument on the Mars Science Laboratory (MSL) mission will use LIBS to rapidly analyze targets remotely, allowing more resource- and time-intensive in-situ analyses to be reserved for targets of particular interest. ChemCam will also be used to analyze samples that are not reachable by the rover's in-situ instruments. Due to these tactical and scientific roles, it is important that ChemCam-derived sample compositions are as accurate as possible. We have compared the results of partial least squares (PLS), multilayer perceptron (MLP) artificial neural networks (ANNs), and cascade correlation (CC) ANNs to determine which technique yields better estimates of quantitative element abundances in rock and mineral samples. The number of hidden nodes in the MLP ANNs was optimized using a genetic algorithm. The influence of two data preprocessing techniques were also investigated: genetic algorithm feature selection and averaging the spectra for each training sample prior to training the PLS and ANN algorithms. We used a ChemCam-like laboratory stand-off LIBS system to collect spectra of 30 pressed powder geostandards and a diverse suite of 196 geologic slab samples of known bulk composition. We tested the performance of PLS and ANNs on a subset of these samples, choosing to focus on silicate rocks and minerals with a loss on ignition of less than 2 percent. This resulted in a set of 22 pressed powder geostandards and 80 geologic samples. Four of the geostandards were used as a validation set and 18 were used as the training set for the algorithms. We found that PLS typically resulted in the lowest average absolute error in its predictions, but that the optimized MLP ANN and the CC ANN often gave results comparable to PLS. Averaging the spectra for each training sample and/or using feature selection to choose a small subset of wavelengths to use for predictions gave mixed results, with degraded performance in some cases and similar or slightly improved performance in other cases. However, training time was significantly reduced for both PLS and ANN methods by implementing feature selection, making this a potentially appealing method for initial, rapid-turn-around analyses necessary for Chemcam's tactical role on MSL. Choice of training samples has a strong influence on the accuracy of predictions. We are currently investigating the use of clustering algorithms (e.g. k-means, neural gas, etc.) to identify training sets that are spectrally similar to the unknown samples that are being predicted, and therefore result in improved predictions

Morris, Richard↗

Unsupervised Anomaly Detection in High-Dimensional Flight Data Using Convolutional Variational Auto-Encoder

The modern National Airspace System (NAS) is an extremely safe system. The industry has experienced a steady decrease in fatalities over the years. This can be contributed to both improved flight critical systems with redundant hardware and software protections as well as an increased focus on active monitoring and response to real time and historically identified vulnerabilities by implementing more resilient procedures and protocols. The main practice for identifying vulnerabilities in operations leverages domain expertise using knowledge about how the system should behave with the expected tolerances to known safety margins. This approach works well when the system has a well-defined operating condition. However, the operations in the NAS can be highly complex with various nuances that render it difficult to clearly pre-define all known safety vulnerabilities. With the advancement of data science and machine learning techniques, the potential to automatically identify emerging vulnerabilities in the observed operations has become more practical in recent years. The state-of-the-art anomaly detection approaches in aerospace data usually rely on supervised or semi-supervised learning. However, in many real-world problems such as flight safety creating labels for the data requires huge amount of efforts and is largely expensive. As a result, in this article, we develop a Convolutional Variational Auto-Encoder (CVAE), an unsupervised learning approach for anomaly detection in high-dimensional heterogeneous time-series data. We validate performance of CVAE compared to the state-of-the-art supervised learning approach (as an upper bound) as well as an supervised clustering based on K-Means (as a lower bound) on Yahoo!'s benchmark time series anomaly detection data. Finally, we showcase performance of CVAE on a case study of identifying anomalies in the first 60 seconds of commercial flights' take-offs using Flight Operational Quality Assurance (FOQA) data.

Milad Memarzadeh↗

Cancer genomics predicts disease relapse and therapeutic response to neoadjuvant chemotherapy of hormone sensitive breast cancers

Several studies provide insight into the landscape of breast cancer genomics with the genomic characterization of tumors offering exceptional opportunities in defining therapies tailored to the patient’s specific need. However, translating genomic data into personalized treatment regimens has been hampered partly due to uncertainties in deviating from guideline based clinical protocols. Here we report a genomic approach to predict favorable outcome to treatment responses thus enabling personalized medicine in the selection of specific treatment regimens. The genomic data were divided into a training set of N = 835 cases and a validation set consisting of 1315 hormone sensitive, 634 triple negative breast cancer (TNBC) and 1365 breast cancer patients with information on neoadjuvant chemotherapy responses. Patients were selected by the following criteria: estrogen receptor (ER) status, lymph node invasion, recurrence free survival. The k-means classification algorithm delineated clusters with low- and high- expression of genes related to recurrence of disease; a multivariate Cox’s proportional hazard model defined recurrence risk for disease. Classifier genes were validated by Immunohistochemistry (IHC) using tissue microarray sections containing both normal and cancerous tissues and by evaluating findings deposited in the human protein atlas repository. Based on the leave-on-out cross validation procedure of 4 independent data sets we identified 51-genes associated with disease relapse and selected 10, i.e. TOP2A, AURKA, CKS2, CCNB2, CDK1 SLC19A1, E2F8, E2F1, PRC1, KIF11 for in depth validation. Expression of the mechanistically linked disease regulated genes significantly correlated with recurrence free survival among ER-positive and triple negative breast cancer patients and was independent of age, tumor size, histological grade and node status. Importantly, the classifier genes predicted pathological complete responses to neoadjuvant chemotherapy (P < 0.001) with high expression of these genes being associated with an improved therapeutic response toward two different anthracycline-taxane regimens; thus, highlighting the prospective for precision medicine. Our study demonstrates the potential of classifier genes to predict risk for disease relapse and treatment response to chemotherapies. The classifier genes enable rational selection of patients who benefit best from a given chemotherapy thus providing the best possible care. The findings encourage independent clinical validation.

59 BASIC BIOLOGICAL SCIENCES↗

Entropy-Assisted Quality Pattern Identification in Finance

Short-term patterns in financial time series form the cornerstone of many algorithmic trading strategies, yet extracting these patterns reliably from noisy market data remains a formidable challenge. In this paper, we propose an entropy-assisted framework for identifying high-quality, non-overlapping patterns that exhibit consistent behavior over time. We ground our approach in the premise that historical patterns, when accurately clustered and pruned, can yield substantial predictive power for short-term price movements. To achieve this, we incorporate an entropy-based measure as a proxy for information gain: patterns that lead to high one-sided movements in historical data yet retain low local entropy are more “informative” in signaling future market direction. Compared to conventional clustering techniques such as K-means and Gaussian Mixture Models (GMMs), which often yield biased or unbalanced groupings, our approach emphasizes balance over a forced visual boundary, ensuring that quality patterns are not lost due to over-segmentation. By emphasizing both predictive purity (low local entropy) and historical profitability, our method achieves a balanced representation of Buy and Sell patterns, making it better suited for short-term algorithmic trading strategies. This paper offers an in-depth illustration of our entropy-assisted framework through two case studies on Gold vs. USD and GBPUSD. While these examples demonstrate the method’s potential for extracting high-quality patterns, they do not constitute an exhaustive survey of all possible asset classes.

Physics↗

Using Clustering to Establish Climate Regimes from PCM Output

A multivariate statistical clustering technique--based on the k-means algorithm of Hartigan has been used to extract patterns of climatological significance from 200 years of general circulation model (GCM) output. Originally developed and implemented on a Beowulf-style parallel computer constructed by Hoffman and Hargrove from surplus commodity desktop PCs, the high performance parallel clustering algorithm was previously applied to the derivation of ecoregions from map stacks of 9 and 25 geophysical conditions or variables for the conterminous U.S. at a resolution of 1 sq km. Now applied both across space and through time, the clustering technique yields temporally-varying climate regimes predicted by transient runs of the Parallel Climate Model (PCM). Using a business-as-usual (BAU) scenario and clustering four fields of significance to the global water cycle (surface temperature, precipitation, soil moisture, and snow depth) from 1871 through 2098, the authors' analysis shows an increase in spatial area occupied by the cluster or climate regime which typifies desert regions (i.e., an increase in desertification) and a decrease in the spatial area occupied by the climate regime typifying winter-time high latitude perma-frost regions. The patterns of cluster changes have been analyzed to understand the predicted variability in the water cycle on global and continental scales. In addition, representative climate regimes were determined by taking three 10-year averages of the fields 100 years apart for northern hemisphere winter (December, January, and February) and summer (June, July, and August). The result is global maps of typical seasonal climate regimes for 100 years in the past, for the present, and for 100 years into the future. Using three-dimensional data or phase space representations of these climate regimes (i.e., the cluster centroids), the authors demonstrate the portion of this phase space occupied by the land surface at all points in space and time. Any single spot on the globe will exist in one of these climate regimes at any single point in time. By incrementing time, that same spot will trace out a trajectory or orbit between and among these climate regimes (or atmospheric states) in phase (or state) space. When a geographic region enters a state it never previously visited, a climatic change is said to have occurred. Tracing out the entire trajectory of a single spot on the globe yields a 'manifold' in state space representing the shape of its predicted climate occupancy. This sort of analysis enables a researcher to more easily grasp the multivariate behavior of the climate system.

Oglesby, Robert↗

Generating realistic building electrical load profiles through the Generative Adversarial Network (GAN)

Building electrical load profiles can improve understanding of building energy efficiency, demand flexibility, and building-grid interactions. Current approaches to generating load profiles are time-consuming and not capable of reflecting the dynamic and stochastic behaviors of real buildings; some approaches also trigger data privacy concerns. In this study, we proposed a novel approach for generating realistic electrical load profiles of buildings through the Generative Adversarial Network (GAN), a machine learning technique that is capable of revealing an unknown probability distribution purely from data. The proposed approach has three main steps: (1) normalizing the daily 24-hour load profiles, (2) clustering the daily load profiles with the k-means algorithm, and (3) using GAN to generate daily load profiles for each cluster. The approach was tested with an open-source database – the Building Data Genome Project. We validated the proposed method by comparing the mean, standard deviation, and distribution of key parameters of the generated load profiles with those of the real ones. The KL divergence of the generated and real load profiles are within 0.3 for majority of parameters and clusters. Additionally, results showed the load profiles generated by GAN can capture not only the general trend but also the random variations of the actual electrical loads in buildings. We report the proposed GAN approach can be used to generate building electrical load profiles, verify other load profile generation models, detect changes to load profiles, and more importantly, anonymize smart meter data for sharing, to support research and applications of grid-interactive efficient buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Vision based obstacle detection and grouping for helicopter guidance

Electro-optical sensors can be used to compute range to objects in the flight path of a helicopter. The computation is based on the optical flow/motion at different points in the image. The motion algorithms provide a sparse set of ranges to discrete features in the image sequence as a function of azimuth and elevation. For obstacle avoidance guidance and display purposes, these discrete set of ranges, varying from a few hundreds to several thousands, need to be grouped into sets which correspond to objects in the real world. This paper presents a new method for object segmentation based on clustering the sparse range information provided by motion algorithms together with the spatial relation provided by the static image. The range values are initially grouped into clusters based on depth. Subsequently, the clusters are modified by using the K-means algorithm in the inertial horizontal plane and the minimum spanning tree algorithms in the image plane. The object grouping allows interpolation within a group and enables the creation of dense range maps. Researchers in robotics have used densely scanned sequence of laser range images to build three-dimensional representation of the outside world. Thus, modeling techniques developed for dense range images can be extended to sparse range images. The paper presents object segmentation results for a sequence of flight images.

Sridhar, Banavar↗

Assessing Shifts in Regional Hydroclimatic Conditions of U.S. River Basins in Response to Climate Change over the 21st Century

Characterization of shifts in regional hydroclimatic conditions helps reduce negative consequences on agriculture, environment, economy, society, and ecosystem. This study assesses shifts in regional hydroclimatic conditions across the conterminous United States in response to climate change over the 21 st Century. The hydrological responses of five downscaled climate models from the Multivariate Adaptive Constructed Analogs (MACA) dataset ranging from the driest to wettest and least warm to hottest were simulated using the Variable Infiltration Capacity (VIC) model. Shifts in regional hydroclimatic conditions at 8-digit hydrologic unit scale (HUC8) were evaluated by the magnitude and direction of movements in the Budyko space. HUC8 river basins were then clustered into seven unique hydroclimatic behavior groups using the K-means method. A tree classification method was proposed to illustrate the relationships between hydroclimatic behavior groups and regional characteristics. The results indicate that hydroclimatic responses may vary from a river basin to another, but basins in the same neighborhood follow a similar movement in the Budyko space. The systematic hydroclimatic behavior of river basins is highly associated with their regional landform, climate, and ecosystem characteristics. Most HUC8s with Mountain, Plateau and Basin landform types will likely experience less arid conditions. However, most HUC8s with Plain landform type behave differently according to the regional ecosystem and climate. This study provides a potential roadmap of shifts in regional hydroclimatic conditions of U.S. river basins, which can be used to improve regional preparedness and ability of various sectors to mitigate or adapt to the impacts of future hydroclimate change.

54 ENVIRONMENTAL SCIENCES↗

Clustering Acoustic Background Noise in the Stratosphere Using Machine Learning

Infrasound, characterized by low-frequency sound inaudible to humans (<20 Hz), emanates from natural and anthropogenic sources. Its efficacy for monitoring phenomena necessitates robust sensing networks. Traditional ground-based infrasound sensors have limitations due to atmospheric dynamics and noise interference. Balloon-bore sensors have emerged as an alternative, offering reduced noise and improved capabilities. This study bridges clustering algorithms with balloon borne infrasound data, a domain yet to be explored. Employing K-Means, DBSCAN, and GMM algorithms on normalized and reshaped data and only normalized data from a New Zealand-based NASA balloon flight, insights into background noise at stratospheric altitudes were revealed. Despite challenges arising from distinguishing signals amid unique background noise, this research provides vital reference material for noise analysis and calibration. Beyond infrasound event capture, the dataset enriches comprehension of background noise characteristics in the southern hemisphere.

47 OTHER INSTRUMENTATION↗

Unsupervised texture image segmentation by improved neural network ART2

We here propose a segmentation algorithm of texture image for a computer vision system on a space robot. An improved adaptive resonance theory (ART2) for analog input patterns is adapted to classify the image based on a set of texture image features extracted by a fast spatial gray level dependence method (SGLDM). The nonlinear thresholding functions in input layer of the neural network have been constructed by two parts: firstly, to reduce the effects of image noises on the features, a set of sigmoid functions is chosen depending on the types of the feature; secondly, to enhance the contrast of the features, we adopt fuzzy mapping functions. The cluster number in output layer can be increased by an autogrowing mechanism constantly when a new pattern happens. Experimental results and original or segmented pictures are shown, including the comparison between this approach and K-means algorithm. The system written in C language is performed on a SUN-4/330 sparc-station with an image board IT-150 and a CCD camera.

Wang, Zhiling↗

Uncertainty Quantification in CO2 Trapping Mechanisms: A Case Study of PUNQ-S3 Reservoir Model Using Representative Geological Realizations and Unsupervised Machine Learning

Evaluating uncertainty in CO2 injection projections often requires numerous high-resolution geological realizations (GRs) which, although effective, are computationally demanding. This study proposes the use of representative geological realizations (RGRs) as an efficient approach to capture the uncertainty range of the full set while reducing computational costs. A predetermined number of RGRs is selected using an integrated unsupervised machine learning (UML) framework, which includes Euclidean distance measurement, multidimensional scaling (MDS), and a deterministic K-means (DK-means) clustering algorithm. In the context of the intricate 3D aquifer CO2 storage model, PUNQ-S3, these algorithms are utilized. The UML methodology selects five RGRs from a pool of 25 possibilities (20% of the total), taking into account the reservoir quality index (RQI) as a static parameter of the reservoir. To determine the credibility of these RGRs, their simulation results are scrutinized through the application of the Kolmogorov–Smirnov (KS) test, which analyzes the distribution of the output. In this assessment, 40 CO2 injection wells cover the entire reservoir alongside the full set. The end-point simulation results indicate that the CO2 structural, residual, and solubility trapping within the RGRs and full set follow the same distribution. Simulating five RGRs alongside the full set of 25 GRs over 200 years, involving 10 years of CO2 injection, reveals consistently similar trapping distribution patterns, with an average value of Dmax of 0.21 remaining lower than Dcritical (0.66). Using this methodology, computational expenses related to scenario testing and development planning for CO2 storage reservoirs in the presence of geological uncertainties can be substantially reduced.

Mahjour, Seyed Kourosh↗